UCSF

ZINC54414499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 0.87 -11.37 3 8 0 113 294.311 5
Mid Mid (pH 6-8) 0.38 3.14 -51.37 4 8 1 115 295.319 5

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.